butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine

C15H30F3N — CID 178040100

IUPACbutane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
SMILESC/C=C(CC(F)(F)F)\C(CC)=N\C.CC.CCCC
InChIInChI=1S/C9H14F3N.C4H10.C2H6/c1-4-7(6-9(10,11)12)8(5-2)13-3;1-3-4-2;1-2/h4H,5-6H2,1-3H3;3-4H2,1-2H3;1-2H3/b7-4-,13-8+;;
InChIKeyFEVOBTIATXHZFG-VYGSWWIZSA-N
MW281.41 g/mol
LogP6.20
Rot. Bonds4

About butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine

butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine (PubChem CID 178040100) has the molecular formula C15H30F3N and a molecular weight of 281.41 g/mol. Its IUPAC name is butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine.

Molecular Properties

Compound Namebutane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
PubChem CID178040100
Molecular FormulaC15H30F3N
Molecular Weight281.41 g/mol
Exact Mass281.23
IUPAC Namebutane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
SMILESC/C=C(CC(F)(F)F)\C(CC)=N\C.CC.CCCC
InChIInChI=1S/C9H14F3N.C4H10.C2H6/c1-4-7(6-9(10,11)12)8(5-2)13-3;1-3-4-2;1-2/h4H,5-6H2,1-3H3;3-4H2,1-2H3;1-2H3/b7-4-,13-8+;;
InChIKeyFEVOBTIATXHZFG-VYGSWWIZSA-N
XLogP6.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.41
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine with MolForge

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Related Compounds

(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
4-fluoro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
CID 123180150
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
CID 123240234
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
4-Methyl-2-propyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123942790

Frequently Asked Questions

What is the IUPAC name of butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
The IUPAC name of butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine (CID 178040100) is butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine.
What is the SMILES notation for butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
The canonical SMILES for butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine is C/C=C(CC(F)(F)F)\C(CC)=N\C.CC.CCCC.
What is the InChIKey of butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
The InChIKey is FEVOBTIATXHZFG-VYGSWWIZSA-N. The full InChI is InChI=1S/C9H14F3N.C4H10.C2H6/c1-4-7(6-9(10,11)12)8(5-2)13-3;1-3-4-2;1-2/h4H,5-6H2,1-3H3;3-4H2,1-2H3;1-2H3/b7-4-,13-8+;;.
What are the key properties of butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine?
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine has a molecular weight of 281.41 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine is sourced from PubChem (CID 178040100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).